chempirical

Cyanazine

C9H13ClN6CAS 21725-46-2240.70 g/mol

Open in Covalent MOL file
NNClNNHNHN
Aryl halideNitrileSecondary amine

Properties

Molecular formula
C9H13ClN6
Molar mass
240.70 g/mol
Exact mass
240.0890 Da
Density
129 g/mL (at 20 °C)
Melting point
167.5–169 °C
logP
1.09Crippen estimate
Polar surface area
89.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
21725-46-2
SMILES
CCN=c1nc(Cl)nc(NC(C)(C)C#N)[nH]1
InChIKey
MZZBPDKVEFVLFF-UHFFFAOYSA-N
InChI
InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

16 names · show all
  • Propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-
  • Propionitrile, 2-[[4-chloro-6-(ethylamino)-s-triazin-2-yl]amino]-2-methyl-
  • 2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
  • SD 15418
  • WL 19805
  • 2-(4-Chloro-6-ethylamino-s-triazin-2-ylamino)-2-methylpropionitrile
  • 2-Chloro-4-ethylamino-6-(1-methyl-1-cyanoethylamino)-s-triazine
  • DW 3418
  • 2-Chloro-4-ethylamino-6-(α,α-dimethylcyanomethyl)amino-1,3,5-triazine
  • Bladex
  • Bladex 80WP
  • 2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropionitrile
  • Fortrol
  • Cyanazin
  • Bladex 50WP
  • Gramex

Work with Cyanazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terbuthylazine5915-41-368 % similar Simazine122-34-938 % similar Atrazine1912-24-933 % similar Terbutryn886-50-033 % similar Simetryn1014-70-630 % similar Simeton673-04-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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